5-(4-ethylsulfonylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine

C18H15F3N4O2S — CID 71711989

IUPAC5-(4-ethylsulfonylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine
SMILESCCS(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc(C(F)(F)F)nc3)n2)cc1
InChIInChI=1S/C18H15F3N4O2S/c1-2-28(26,27)13-6-3-11(4-7-13)14-10-24-17(22)16(25-14)12-5-8-15(23-9-12)18(19,20)21/h3-10H,2H2,1H3,(H2,22,24)
InChIKeyMOVWXDGLBZSEPD-UHFFFAOYSA-N
MW408.41 g/mol
LogP3.60
Rot. Bonds4

About 5-(4-ethylsulfonylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine

5-(4-ethylsulfonylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine (PubChem CID 71711989) has the molecular formula C18H15F3N4O2S and a molecular weight of 408.41 g/mol. Its IUPAC name is 5-(4-ethylsulfonylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine.

Molecular Properties

Compound Name5-(4-ethylsulfonylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine
PubChem CID71711989
Molecular FormulaC18H15F3N4O2S
Molecular Weight408.41 g/mol
Exact Mass408.09
IUPAC Name5-(4-ethylsulfonylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine
SMILESCCS(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc(C(F)(F)F)nc3)n2)cc1
InChIInChI=1S/C18H15F3N4O2S/c1-2-28(26,27)13-6-3-11(4-7-13)14-10-24-17(22)16(25-14)12-5-8-15(23-9-12)18(19,20)21/h3-10H,2H2,1H3,(H2,22,24)
InChIKeyMOVWXDGLBZSEPD-UHFFFAOYSA-N
XLogP3.60
TPSA98.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.41
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylsulfonylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine?
The IUPAC name of 5-(4-ethylsulfonylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine (CID 71711989) is 5-(4-ethylsulfonylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine.
What is the SMILES notation for 5-(4-ethylsulfonylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine?
The canonical SMILES for 5-(4-ethylsulfonylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine is CCS(=O)(=O)c1ccc(-c2cnc(N)c(-c3ccc(C(F)(F)F)nc3)n2)cc1.
What is the InChIKey of 5-(4-ethylsulfonylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine?
The InChIKey is MOVWXDGLBZSEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N4O2S/c1-2-28(26,27)13-6-3-11(4-7-13)14-10-24-17(22)16(25-14)12-5-8-15(23-9-12)18(19,20)21/h3-10H,2H2,1H3,(H2,22,24).
What are the key properties of 5-(4-ethylsulfonylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine?
5-(4-ethylsulfonylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine has a molecular weight of 408.41 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylsulfonylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]pyrazin-2-amine is sourced from PubChem (CID 71711989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).